2-[(4-nitrophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 2-[(4-nitrophenyl)methylthio]-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 2-[(4-nitrobenzyl)thio]-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C11H14N3O2S+ MolecularWeight: 252.31276

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=[NH+]C1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=[NH+]C1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O2S/c15-14(16)10-4-2-9(3-5-10)8-17-11-12-6-1-7-13-11/h2-5H,1,6-8H2,(H,12,13)/p+1